Chem
J-GLOBAL ID：200907050910276228   Nikkaji number：J14.438J

Chlorobactene

クロロバクテン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H52
Molecular formula furigana： C40-H52
Molecular weight： 532.856
InChI： InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+
InChI key： VJASLAGEYVTOGS-IQAIWTHGSA-N
SMILES： CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/c1c(C)ccc(C)c1C)/C)/C)/C)C
Systematic name  (3)：
  • φ,ψ-カロテン
  • 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-ヘキサメチルペンタコサ-1,3,5,7,9,11,13,15,17,19,23-ウンデカエン-1-イル]-1,3,4-トリメチルベンゼン
  • 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,3,4-trimethylbenzene
Other name (5)：
  • クロロバクチン
  • クロロバクテン
  • Chlorobactin
  • Chlorobactene
  • φ,ψ-Carotene
CAS registry number： 2932-09-4
KEGG COMPOUND： C15908
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